Interactions of lattice defects in fcc Ni - an ab initio study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F19%3A00113685" target="_blank" >RIV/00216224:14310/19:00113685 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Interactions of lattice defects in fcc Ni - an ab initio study
Original language description
Properties of modern materials are significantly affected by crystal-lattice defects, which often do not occur individually but in various combinations. Understanding of such interactions is crucial in contemporary material engineering, however such interactions are often experimentally inaccessible. Here, theoretical approaches, such as ab initio modelling, can help. As a model system for the above mentioned type of interactions, the fcc Ni containing sigma 5(210) tilt grain boundaries (GB), Al and Si impurities and vacancies (Va) in various combinations was chosen. Our modelling was performed by means of the VASP code with projector-augmented plane wave (PAW) potentials.
Czech name
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Czech description
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Project
<a href="/en/project/LQ1601" target="_blank" >LQ1601: CEITEC 2020</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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